SCHEMBL29629166

SCHEMBL29629166

CC(C)N(CCOc1ncc(Br)cc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.40
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MET P08581 1/20 0.32
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
VCAM1 P19320 1/20 0.30
SSTR4 P31391 1/20 0.30
F2 P00734 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26590169 1.00 AAK1 (0.40) AAK1KDM4EGAAMETAURKA
SCHEMBL29968591 0.87 PDK2 (0.38) AAK1KDM4EGAAMETAURKA
SCHEMBL26590183 0.87 PDK2 (0.38) AAK1KDM4EGAAMETAURKA
SCHEMBL26590173 0.85 AAK1 (0.38) AAK1KDM4EGAASSTR4
SCHEMBL29970336 0.85 AAK1 (0.38) AAK1KDM4EGAASSTR4
SCHEMBL29968716 0.84 AAK1 (0.38) AAK1KDM4EGAAAURKARPS6KB1
SCHEMBL26590207 0.84 AAK1 (0.37) AAK1KDM4EGAASSTR4
SCHEMBL29969584 0.83 AAK1 (0.36) AAK1KDM4EGAAAURKARPS6KB1
SCHEMBL26590185 0.83 AAK1 (0.36) AAK1KDM4EGAAAURKARPS6KB1
SCHEMBL30613853 0.83 AAK1 (0.37) AAK1KDM4EGAASSTR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268873-A1 COMBINATION OF DUAL ATM AND DNA-PK INHIBITORS AND IMMUNOTHERAPEUTIC AGENTS FOR USE IN CANCER THERAPY XRAD THERAPEUTICS, INC. (US) 2025-08-28 US disclosed
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-4003345-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2024-12-04 EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 US disclosed
WO-2022169840-A1 COMBINATION OF DUAL ATM AND DNA-PK INHIBITORS AND IMMUNOTHERAPEUTIC AGENTS FOR USE IN CANCER THERAPY XRAD THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed
EP-4003345-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2022-06-01 EP disclosed
US-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 AAK1 642/4885KDM4E 1653/4885GAA 643/4885
US-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 AAK1 627/4885KDM4E 1754/4885GAA 660/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 AAK1 642/4885KDM4E 1653/4885GAA 643/4885
US-20250268873-A1 COMBINATION OF DUAL ATM AND DNA-PK INHIBITORS AND IMMUNOTHERAPEUTIC AGENTS FOR USE IN CANCER THERAPY ATM, CHEK2, CHEK1 AAK1 333/4885KDM4E 1127/4885GAA 1002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.